- InChI
- InChI=1S/C10H18O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5,9,11H,3,6-8H2,1-2H3/b5-4-
- InChI Key
- YCRZFZCDOSZRKH-PLNGDYQASA-N
- Formula
- C10H18O3
- SMILES
- CCC=CCCOC(=O)CC(C)O
- Molecular Weight1
- 186.25
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -688.60 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.28 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 1.657 | Crippen Calculated Property | |
| McVol | 160.770 | ml/mol | McGowan Calculated Property |
| I | [1914.00; 1946.00] |
|
|
| I | 1946.00 | NIST | |
| I | 1914.00 | NIST | |
| I | 1946.00 | NIST | |
| Tboil | 492.70 | K | Relay (1.0) Calculated Property |
| Tc | 688.23 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.21; 469.54] | J/mol×K | [582.52; 755.65] |
|
| Cp,gas | 404.21 | J/mol×K | 582.52 | Joback Calculated Property |
| Cp,gas | 416.49 | J/mol×K | 611.38 | Joback Calculated Property |
| Cp,gas | 428.19 | J/mol×K | 640.23 | Joback Calculated Property |
| Cp,gas | 439.33 | J/mol×K | 669.09 | Joback Calculated Property |
| Cp,gas | 449.93 | J/mol×K | 697.94 | Joback Calculated Property |
| Cp,gas | 459.99 | J/mol×K | 726.80 | Joback Calculated Property |
| Cp,gas | 469.54 | J/mol×K | 755.65 | Joback Calculated Property |
| η | [0.0000592; 0.0245426] | Pa×s | [285.53; 582.52] |
|
| η | 0.0245426 | Pa×s | 285.53 | Joback Calculated Property |
| η | 0.0042796 | Pa×s | 335.03 | Joback Calculated Property |
| η | 0.0011699 | Pa×s | 384.53 | Joback Calculated Property |
| η | 0.0004299 | Pa×s | 434.02 | Joback Calculated Property |
| η | 0.0001939 | Pa×s | 483.52 | Joback Calculated Property |
| η | 0.0001014 | Pa×s | 533.02 | Joback Calculated Property |
| η | 0.0000592 | Pa×s | 582.52 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (Z)-3-hexenyl 3-hydroxybutanoate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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